Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1COc2ccc(Cl)cc21 |
MW: | 324.07 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 53.3987717910498 |
Order Status | |
Ordered: | 2020-12-14 |
Synthesis Location: | enamine |
Shipped: | 2021-01-14 |
EDJ-MED-12c115cc-2
1.000
MAT-POS-f7918075-2
1.000
MAT-POS-bbbbc21a-2
1.000
ALF-EVA-ced740bd-4
0.737
MAT-POS-b3e365b9-2
0.722
MAT-POS-b3e365b9-1
0.722
VLA-UCB-1dbca3b4-15
0.722
MAT-POS-f7918075-1
0.722
MAR-UCB-6ab2ec87-5
0.718
ALF-EVA-5b152d2f-1
0.695
PET-UNK-c0891748-4
0.683
PET-UNK-c0891748-10
0.683
MAT-POS-2e8b2191-2
0.663
ADA-UCB-dc2b944c-16
0.663
MAT-POS-2e8b2191-3
0.663
PET-UNK-c0891748-6
0.663
ERI-UCB-b3e6b0c2-10
0.663
PET-UNK-c0891748-12
0.663
ALP-POS-d3acb8cc-1
0.655
MAT-POS-8a69d52e-3
0.655
ALP-POS-d3acb8cc-3
0.655
ALP-POS-d3acb8cc-4
0.655
ERI-UCB-b3e6b0c2-1
0.655
EDJ-MED-e4b030d8-3
0.655
EDJ-MED-e4b030d8-2
0.655
MAT-POS-8a69d52e-1
0.655
ALP-POS-d3acb8cc-2
0.655
MAT-POS-8a69d52e-2
0.655
MAK-UNK-8be7dca9-10
0.647
ALF-EVA-a24cc7ce-1
0.646
BRU-THA-01b12488-1
0.643
EDJ-MED-e4b030d8-11
0.643
ADA-UCB-dc2b944c-13
0.643
MAT-POS-8a69d52e-4
0.643
MAT-POS-8a69d52e-7
0.643
MAT-POS-8a69d52e-5
0.643
MAT-POS-8a69d52e-6
0.643
ADA-UCB-dc2b944c-14
0.643
BEN-BAS-5c03e89e-1
0.628
MAK-UNK-8be7dca9-3
0.621
ALP-UNI-c3ef0aba-2
0.619
BEN-DND-f2e727cd-4
0.619
MAR-UCB-6ab2ec87-4
0.614
VLA-UCB-1dbca3b4-16
0.612
ADA-UCB-dc2b944c-15
0.605
DAR-DIA-0d514e7d-3
0.605
ALF-EVA-5b152d2f-6
0.602
EDJ-MED-e4b030d8-6
0.600
ERI-UCB-b3e6b0c2-7
0.598
ERI-UCB-b3e6b0c2-15
0.598
BEN-BAS-c2bc0d80-1
0.595
DAR-DIA-0d514e7d-34
0.595
DAR-DIA-0d514e7d-35
0.595
FRA-DIA-c7e803f4-1
0.593
FRA-DIA-0fa076fe-1
0.593
FRA-DIA-0fa076fe-2
0.590
EDJ-MED-e4b030d8-12
0.581
LUO-POS-868e8996-14
0.581
MAT-POS-66a736cf-1
0.581
MAR-UCB-6ab2ec87-6
0.581
MAT-POS-3ccb8ef6-1
0.581
LUO-POS-868e8996-13
0.581
MIC-UNK-91acba05-3
0.581
BEN-DND-f2e727cd-5
0.581
MAT-POS-d8472c4f-5
0.581
RAL-THA-05e671eb-3
0.581
MAT-POS-3ccb8ef6-2
0.581
MAT-POS-8e4737f4-2
0.581
DAR-DIA-0d514e7d-36
0.581
ERI-UCB-b3e6b0c2-14
0.579
MAR-UCB-6ab2ec87-1
0.576
PET-UNK-022eab87-1
0.576
JAG-UCB-a3ef7265-3
0.573
ERI-UCB-b3e6b0c2-6
0.573
BEN-BAS-c2bc0d80-2
0.570
ALF-EVA-a24cc7ce-2
0.570
ALP-UNI-3735e77e-3
0.568
RAL-THA-05e671eb-11
0.568
RAL-THA-4aa06b95-4
0.565
ALP-POS-477dc5b7-1
0.563
MAT-POS-78e1d523-1
0.563
MIC-UNK-91acba05-4
0.563
ALF-EVA-5b152d2f-4
0.562
ALP-POS-fe871b40-9
0.562
MAT-POS-a13804f0-2
0.562
RAL-THA-05e671eb-10
0.562
ALP-POS-d91e0300-1
0.562
MAT-POS-a13804f0-3
0.562
DAR-DIA-0d514e7d-33
0.562
ALF-EVA-ced740bd-3
0.560
MAT-POS-43c25e9b-2
0.557
EDJ-MED-92e193ae-1
0.557
ROB-UNI-322e8f70-3
0.557
EDJ-MED-92e193ae-2
0.557
MIC-UNK-45817b9b-1
0.557
MAT-POS-43c25e9b-1
0.557
MAR-UCB-6ab2ec87-7
0.557
MAT-POS-11b63608-1
0.557
ALP-POS-477dc5b7-2
0.557
MIC-UNK-91acba05-5
0.557